Carlomagno GroupPublications

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Drug Design for G-Protein-Coupled Receptors by a Ligand-Based NMR Method.
Bartoschek, S., Klabunde, T., Defossa, E., Dietrich, V., Stengelin, S., Griesinger, C., Carlomagno, T., Focken, I. & Wendt, K.U.
Angew Chem Int Ed Engl. 2010 Jan 18.
PubMed

(1)H, (13)C and (15)N resonance assignments of the Calmodulin-Munc13-1 peptide complex.
Rodriguez-Castaneda, F., Coudevylle, N., Becker, S., Brose, N., Carlomagno, T. & Griesinger, C.
Biomol NMR Assign. 2009 Dec 15.
PubMed

Modular architecture of Munc13/calmodulin complexes: dual regulation by Ca(2+) and possible function in short-term synaptic plasticity.
Rodriguez-Castaneda, F., Maestre-Martinez, M., Coudevylle, N., Dimova, K., Junge, H., Lipstein, N., Lee, D., Becker, S., Brose, N., Jahn, O., Carlomagno, T. & Griesinger, C.
EMBO J. 2009 Dec 10.
PubMed

The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method.
Orts, J., Griesinger, C. & Carlomagno, T.
J Magn Reson. 2009 Sep;200(1):64-73. Epub 2009 Jun 12.
PubMed

An efficient strategy for the determination of the three-dimensional architecture of ribonucleoprotein complexes by the combination of a few easily accessible NMR and biochemical data: intermolecular recognition in a U4 spliceosomal complex.
Li, P., Kirkpatrick, J. & Carlomagno, T.
J Mol Biol. 2009 May 1;388(2):283-98. Epub 2009 Mar 10.
PubMed

Probing mutation-induced structural perturbations by refinement against residual dipolar couplings: application to the U4 spliceosomal RNP complex.
Kirkpatrick, J.P., Li, P. & Carlomagno, T.
Chembiochem. 2009 Apr 17;10(6):1007-14.
PubMed

NMR assignments of HIV-2 TAR RNA.
Carlomagno, T., Amata, I., Williamson, J.R. & Hennig, M.
Biomol NMR Assign. 2008 Dec;2(2):167-9. Epub 2008 Oct 12.
PubMed

Field dependent dynamic nuclear polarization with radicals in aqueous solution.
Höfer P, Parigi G, Luchinat C, Carl P, Guthausen G, Reese M, Carlomagno, T., Griesinger C, Bennati M.
J Am Chem Soc. 2008/03 130(11) 3254-3255
PubMed

Conformational Preferences of Natural and C3-Modified Epothilones in Aqueous Solution.
Erdelyi, M., Pfeiffer, B., Hauenstein, K., Fohrer, J., Gertsch, J., Altmann, K.H. & Carlomagno, T.
J Med Chem. 2008 Feb 14;.
PubMed

Construction of a liquid-state NMR DNP shuttle spectrometer: First experimental results and evaluation of optimal performance characteristics.
Reese, M., Lennartz, D., Marquardsen, T., Hoefer, P., Tavernier, A., Carl, P., Schippmann, T., Bennati, M., Carlomagno, T., Engelke, F. & Griesinger, C.
APPLIED MAGNETIC RESONANCE 2008 34(3-4) 301-311

Crystallography-independent determination of ligand binding modes.
Orts, J., Tuma, J., Reese, M., Grimm, S.K., Monecke, P., Bartoschek, S., Schiffer, A., Wendt, K.U., Griesinger, C. & Carlomagno, T.
Angew Chem Int Ed Engl. 2008;47(40):7736-40.
PubMed

Specific methyl group protonation for the measurement of pharmacophore-specific interligand NOE interactions.
Orts, J., Grimm, S.K., Griesinger, C., Wendt, K.U., Bartoschek, S. & Carlomagno, T.
Chemistry. 2008;14(25):7517-20.
PubMed

Argyrin a reveals a critical role for the tumor suppressor protein p27(kip1) in mediating antitumor activities in response to proteasome inhibition.
Nickeleit I, Zender S, Sasse F, Geffers R, Brandes G, Sörensen I, Steinmetz H, Kubicka S, Carlomagno, T., Menche D, Gütgemann I, Buer J, Gossler A, Manns MP, Kalesse M, Frank R, Malek NP.
Cancer Cell 2008 14(1) 23-35
PubMed

Studies of dynamic nuclear polarization with nitroxides in aqueous solution.
Hoefer, P., Carl, P., Guthausen, G., Prisner, T., Reese, M., Carlomagno, T., Griesinger, C. & Bennati, M.
APPLIED MAGNETIC RESONANCE 2008 34(3-4) 393-398

Simultaneous determination of the conformation and relative configuration of archazolide a by using nuclear overhauser effects, J couplings, and residual dipolar couplings.
Fares, C., Hassfeld, J., Menche, D. & Carlomagno, T.
Angew Chem Int Ed Engl. 2008;47(20):3722-6.
PubMed

13C-detection in RNA bases: revealing structure-chemical shift relationships.
Fares, C., Amata, I. & Carlomagno, T.
J Am Chem Soc. 2007 Dec 26;129(51):15814-23. Epub 2007 Dec 4.
PubMed

Binding of the human Prp31 Nop domain to a composite RNA-protein platform in U4 snRNP.
Liu, S., Li, P., Dybkov, O., Nottrott, S., Hartmuth, K., Luhrmann, R., Carlomagno, T. & Wahl, M.C.
Science. 2007 Apr 6;316(5821):115-20.
PubMed

High-resolution solid-state NMR structure of an anticancer agent.
Lange, A., Schupp, T., Petersen, F., Carlomagno, T. & Baldus, M.
ChemMedChem. 2007 Apr;2(4):522-7.
PubMed

Structural basis of the activity of the microtubule-stabilizing agent epothilone a studied by NMR spectroscopy in solution.
Reese, M., Sanchez-Pedregal, V.M., Kubicek, K., Meiler, J., Blommers, M.J., Griesinger, C. & Carlomagno, T.
Angew Chem Int Ed Engl. 2007;46(11):1864-8.
PubMed

The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide.
Sanchez-Pedregal, V.M., Kubicek, K., Meiler, J., Lyothier, I., Paterson, I. & Carlomagno, T.
Angew Chem Int Ed Engl. 2006 Nov 13;45(44):7388-94.
PubMed

Calculation of the dependence of homo- and heteronuclear 3J and 2J scalar couplings for the determination of the 2'-hydroxy conformation in RNA.
Fohrer, J., Reinscheid, U., Hennig, M. & Carlomagno, T.
Angew Chem Int Ed Engl. 2006 Oct 27;45(42):7033-6.
PubMed

Stereochemical determination of Archazolid A and B, highly potent vacuolar-type ATPase inhibitors from the Myxobacterium Archangium gephyra.
Hassfeld, J., Fares, C., Steinmetz, H., Carlomagno, T. & Menche, D.
Org Lett. 2006 Oct 12;8(21):4751-4.
PubMed

SHARP-TACSY: triple-band tailored correlated spectroscopy for base-to-sugar transfer in nucleic acid residues with intermediate time scale motions.
Fares, C. & Carlomagno, T.
J Am Chem Soc. 2006 Aug 2;128(30):9856-62.
PubMed

Influence of the 2'-hydroxyl group conformation on the stability of A-form helices in RNA.
Fohrer, J., Hennig, M. & Carlomagno, T.
J Mol Biol. 2006 Feb 17;356(2):280-7. Epub 2005 Dec 1.
PubMed

A thorough dynamic interpretation of residual dipolar couplings in ubiquitin.
Lakomek, N.A., Carlomagno, T., Becker, S., Griesinger, C. & Meiler, J.
J Biomol NMR. 2006 Feb;34(2):101-15.
PubMed

TAR-RNA recognition by a novel cyclic aminoglycoside analogue.
Raghunathan, D., Sanchez-Pedregal, V.M., Junker, J., Schwiegk, C., Kalesse, M., Kirschning, A. & Carlomagno, T.
Nucleic Acids Res. 2006 Jul 19;34(12):3599-608. Print 2006.
PubMed

Protein Structure and Dynamics.
Carlomagno, T., Baldus, M. & Griesinger, C.
In "Comprehensive Medicinal Chemistry II", Triggle, D. & Taylor, J.B. (2006), Elsevier, Oxford

Side-chain orientation and hydrogen-bonding imprint supra-Tau(c) motion on the protein backbone of ubiquitin.
Lakomek, N.A., Fares, C., Becker, S., Carlomagno, T., Meiler, J. & Griesinger, C.
Angew Chem Int Ed Engl. 2005 Dec 2;44(47):7776-8.
PubMed

The INPHARMA method: protein-mediated interligand NOEs for pharmacophore mapping.
Sanchez-Pedregal, V.M., Reese, M., Meiler, J., Blommers, M.J., Griesinger, C. & Carlomagno, T.
Angew Chem Int Ed Engl. 2005 Jul 4;44(27):4172-5.
PubMed

Identification of a novel pharmacophore for peptide toxins interacting with K+ channels.
Verdier, L., Al-Sabi, A., Rivier, J.E., Olivera, B.M., Terlau, H. & Carlomagno, T.
J Biol Chem. 2005 Jun 3;280(22):21246-55. Epub 2005 Mar 30.
PubMed

Assignment and NOE analysis of 2'-hydroxyl protons in RNA: implications for stabilization of RNA A-form duplexes.
Hennig, M., Fohrer, J. & Carlomagno, T.
J Am Chem Soc. 2005 Feb 23;127(7):2028-9.
PubMed

Transferred methods for the measurement of angle restraints from scalar and dipolar couplings as well as from cross-correlated relaxation: application to drug/target complexes.
Carlomagno, T. & Griesinger, C.
In "Handbook of Modern Magnetic Resonance: Pharmaceutical Sciences" (2005)

Ligand-target interactions: what can we learn from NMR?
Carlomagno, T.
Annu Rev Biophys Biomol Struct. 2005;34:245-66.
PubMed

KappaM-conotoxin RIIIK, structural and functional novelty in a K+ channel antagonist.
Al-Sabi, A., Lennartz, D., Ferber, M., Gulyas, J., Rivier, J.E., Olivera, B.M., Carlomagno, T. & Terlau, H.
Biochemistry. 2004 Jul 13;43(27):8625-35.
PubMed

Structure of the NCoA-1/SRC-1 PAS-B domain bound to the LXXLL motif of the STAT6 transactivation domain.
Razeto, A., Ramakrishnan, V., Litterst, C.M., Giller, K., Griesinger, C., Carlomagno, T., Lakomek, N., Heimburg, T., Lodrini, M., Pfitzner, E. & Becker, S.
J Mol Biol. 2004 Feb 13;336(2):319-29.
PubMed

Measuring the chi 1 torsion angle in protein by CH-CH cross-correlated relaxation: a new resolution-optimised experiment.
Carlomagno, T., Bermel, W. & Griesinger, C.
J Biomol NMR. 2003 Oct;27(2):151-7.
PubMed

Structural studies on a twin-arginine signal sequence.
Kipping, M., Lilie, H., Lindenstrauss, U., Andreesen, J.R., Griesinger, C., Carlomagno, T. & Bruser, T.
FEBS Lett. 2003 Aug 28;550(1-3):18-22.
PubMed

Derivation of dihedral angles from CH-CH dipolar-dipolar cross-correlated relaxation rates: a C-C torsion involving a quaternary carbon atom in epothilone A bound to tubulin.
Carlomagno, T., Sanchez, V.M., Blommers, M.J. & Griesinger, C.
Angew Chem Int Ed Engl. 2003 Jun 6;42(22):2515-7.
PubMed

The high-resolution solution structure of epothilone A bound to tubulin: an understanding of the structure-activity relationships for a powerful class of antitumor agents.
Carlomagno, T., Blommers, M.J., Meiler, J., Jahnke, W., Schupp, T., Petersen, F., Schinzer, D., Altmann, K.H. & Griesinger, C.
Angew Chem Int Ed Engl. 2003 Jun 6;42(22):2511-5.
PubMed

A novel PH-cT-COSY methodology for measuring JPH coupling constants in unlabeled nucleic acids. application to HIV-2 TAR RNA.
Carlomagno, T., Hennig, M. & Williamson, J.R.
J Biomol NMR. 2002 Jan;22(1):65-81.
PubMed

Determination of aliphatic side-chain conformation using cross-correlated relaxation: application to an extraordinarily stable 2'-aminoethoxy-modified oligonucleotide triplex.
Carlomagno, T., Blommers, M.J., Meiler, J., Cuenoud, B. & Griesinger, C.
J Am Chem Soc. 2001 Aug 1;123(30):7364-70.
PubMed

Residual dipolar coupling TOCSY for direct through space correlations of base protons and phosphorus nuclei in RNA.
Hennig, M., Carlomagno, T. & Williamson, J.R.
J Am Chem Soc. 2001 Apr 11;123(14):3395-6.
PubMed

Cross-correlated relaxation for measurement of angles between tensorial interactions.
Schwalbe, H., Carlomagno, T., Hennig, M., Junker, J., Reif, B., Richter, C. & Griesinger, C.
Methods Enzymol. 2001;338:35-81.
PubMed

COIN TACSY, a novel approach to tailored correlation spectroscopy.
Carlomagno, T., Prasch, T. & Glaser, S.N.J.
JOURNAL OF MAGNETIC RESONANCE 2001 149(1) 52-57

A new method for the simultaneous measurement of magnitude and sign of 1DCH and 1DHH dipolar couplings in methylene groups.
Carlomagno, T., Peti, W. & Griesinger, C.
J Biomol NMR. 2000 Jun;17(2):99-109.
PubMed

Errors in the measurement of cross-correlated relaxation rates and how to avoid them.
Carlomagno, T. & Griesinger, C.
J Magn Reson. 2000 Jun;144(2):280-7.
PubMed

Ubiquitin backbone motion studied via NHN-C ' C-alpha dipolar-dipolar and C '-C ' C-alpha/NHN CSA-dipolar cross-correlated relaxation.
Carlomagno, T., Maurer, M., Hennig, M. & Griesinger, C.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2000 122(21) 5105-5113

Transferred cross-correlated relaxation: Application to the determination of sugar pucker in an aminoacylated tRNA-mimetic weakly bound to EF-Tu.
Carlomagno, T., Felli, I.C., Czech, M., Fischer, R., Sprinzl, M. & Griesinger, C.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 1999 121(9) 1945-1948

New methylene specific experiments for the measurement of scalar spin-spin coupling constants between protons attached to 13C.
Carlomagno, T., Schwalbe, H., Rexroth, A., Sorensen, O.W. & Griesinger, C.
J Magn Reson. 1998 Nov;135(1):216-26.
PubMed

"Kin " HEHAHA Sequences, Heteronuclear Hartmann-Hahn Transfer with Different Bandwidths for Spins I and S
Carlomagno, T., Luy, B. & Glaser, S.J.
J Magn Reson. 1997 May;126(1):110-9.
PubMed

Resonance assignment and secondary structure determination and stability of the recombinant human uteroglobin with heteronuclear multidimensional NMR.
Carlomagno, T., Mantile, G., Bazzo, R., Miele, L., Paolillo, L., Mukherjee, A.B. & Barbato, G.
J Biomol NMR. 1997 Jan;9(1):35-46.
PubMed

PLUSH TACSY: Homonuclear planar TACSY with two-band selective shaped pulses applied to C-alpha,C' transfer and C-beta,C-aromatic correlations.
Carlomagno, T., Maurer, M., Sattler, M., Schwendiger, M.G., Glaser, S.J. & Griesinger, C.
JOURNAL OF BIOMOLECULAR NMR 1996 8(2) 161-170

Conformational analysis of dolastatin 10: an NMR and theoretical approach.
Benedetti, E., Carlomagno, T., Fraternali, F., Hamada, Y., Hayashi, K., Paolillo, L. & Shioiri, T.
Biopolymers. 1995 Oct;36(4):525-38.
PubMed